(3-amino-1-methylpyrazol-5-yl) acetate

C6H9N3O2 — CID 174641992

IUPAC(3-amino-1-methylpyrazol-5-yl) acetate
SMILESCC(=O)Oc1cc(N)nn1C
InChIInChI=1S/C6H9N3O2/c1-4(10)11-6-3-5(7)8-9(6)2/h3H,1-2H3,(H2,7,8)
InChIKeyHMSJREZOCRTJLK-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.07
Rot. Bonds1

About (3-amino-1-methylpyrazol-5-yl) acetate

(3-amino-1-methylpyrazol-5-yl) acetate (PubChem CID 174641992) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is (3-amino-1-methylpyrazol-5-yl) acetate.

Molecular Properties

Compound Name(3-amino-1-methylpyrazol-5-yl) acetate
PubChem CID174641992
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name(3-amino-1-methylpyrazol-5-yl) acetate
SMILESCC(=O)Oc1cc(N)nn1C
InChIInChI=1S/C6H9N3O2/c1-4(10)11-6-3-5(7)8-9(6)2/h3H,1-2H3,(H2,7,8)
InChIKeyHMSJREZOCRTJLK-UHFFFAOYSA-N
XLogP-0.07
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-methylpyrazol-5-yl) acetate?
The IUPAC name of (3-amino-1-methylpyrazol-5-yl) acetate (CID 174641992) is (3-amino-1-methylpyrazol-5-yl) acetate.
What is the SMILES notation for (3-amino-1-methylpyrazol-5-yl) acetate?
The canonical SMILES for (3-amino-1-methylpyrazol-5-yl) acetate is CC(=O)Oc1cc(N)nn1C.
What is the InChIKey of (3-amino-1-methylpyrazol-5-yl) acetate?
The InChIKey is HMSJREZOCRTJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4(10)11-6-3-5(7)8-9(6)2/h3H,1-2H3,(H2,7,8).
What are the key properties of (3-amino-1-methylpyrazol-5-yl) acetate?
(3-amino-1-methylpyrazol-5-yl) acetate has a molecular weight of 155.16 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-methylpyrazol-5-yl) acetate is sourced from PubChem (CID 174641992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).